8,8,8-trifluoro-1-methoxy-2-methyloctan-4-one

C10H17F3O2 — CID 105123384

IUPAC8,8,8-trifluoro-1-methoxy-2-methyloctan-4-one
SMILESCOCC(C)CC(=O)CCCC(F)(F)F
InChIInChI=1S/C10H17F3O2/c1-8(7-15-2)6-9(14)4-3-5-10(11,12)13/h8H,3-7H2,1-2H3
InChIKeyWGPVSVWUWCOGSK-UHFFFAOYSA-N
MW226.24 g/mol
LogP2.96
Rot. Bonds7

About 8,8,8-trifluoro-1-methoxy-2-methyloctan-4-one

8,8,8-trifluoro-1-methoxy-2-methyloctan-4-one (PubChem CID 105123384) has the molecular formula C10H17F3O2 and a molecular weight of 226.24 g/mol. Its IUPAC name is 8,8,8-trifluoro-1-methoxy-2-methyloctan-4-one.

Molecular Properties

Compound Name8,8,8-trifluoro-1-methoxy-2-methyloctan-4-one
PubChem CID105123384
Molecular FormulaC10H17F3O2
Molecular Weight226.24 g/mol
Exact Mass226.12
IUPAC Name8,8,8-trifluoro-1-methoxy-2-methyloctan-4-one
SMILESCOCC(C)CC(=O)CCCC(F)(F)F
InChIInChI=1S/C10H17F3O2/c1-8(7-15-2)6-9(14)4-3-5-10(11,12)13/h8H,3-7H2,1-2H3
InChIKeyWGPVSVWUWCOGSK-UHFFFAOYSA-N
XLogP2.96
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,1,1-trifluoro-7-methoxyheptan-4-one
CID 65092607
7-methoxy-6-methylhept-1-yn-4-one
CID 105076443
8,8,8-trifluoro-1-methoxy-N,2-dimethyloctan-4-amine
CID 105174487
1-methoxy-6-methylnonan-4-one
CID 65092431
7,7,7-trifluoro-1-(propan-2-ylamino)heptan-3-one
CID 116556500
1-ethoxy-5-methoxy-4-methylpentan-2-one
CID 105114767
4-methoxy-3-methylbutanoate
CID 22362636
5,5,5-trifluoro-N-(methoxymethyl)pentanamide
CID 87257308
2-amino-8,8,8-trifluoro-2-methyloctan-4-one
CID 116581149
(2R)-7,7,7-trifluoro-2-methyl-4-oxoheptanoic acid
CID 153139701
8,8,8-trifluoro-5-methyloctanoic acid
CID 87995359
9-amino-1,1,1-trifluorononan-5-one
CID 116572046

Frequently Asked Questions

What is the IUPAC name of 8,8,8-trifluoro-1-methoxy-2-methyloctan-4-one?
The IUPAC name of 8,8,8-trifluoro-1-methoxy-2-methyloctan-4-one (CID 105123384) is 8,8,8-trifluoro-1-methoxy-2-methyloctan-4-one.
What is the SMILES notation for 8,8,8-trifluoro-1-methoxy-2-methyloctan-4-one?
The canonical SMILES for 8,8,8-trifluoro-1-methoxy-2-methyloctan-4-one is COCC(C)CC(=O)CCCC(F)(F)F.
What is the InChIKey of 8,8,8-trifluoro-1-methoxy-2-methyloctan-4-one?
The InChIKey is WGPVSVWUWCOGSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3O2/c1-8(7-15-2)6-9(14)4-3-5-10(11,12)13/h8H,3-7H2,1-2H3.
What are the key properties of 8,8,8-trifluoro-1-methoxy-2-methyloctan-4-one?
8,8,8-trifluoro-1-methoxy-2-methyloctan-4-one has a molecular weight of 226.24 g/mol, XLogP of 2.96, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8,8-trifluoro-1-methoxy-2-methyloctan-4-one is sourced from PubChem (CID 105123384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).